2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide

C14H22N4O — CID 79313258

IUPAC2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
SMILESCN(CC1CCCN1C)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H22N4O/c1-17-7-3-4-11(17)9-18(2)10-5-6-13(15)12(8-10)14(16)19/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H2,16,19)
InChIKeyUZZMWNQPTPTFGM-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.90
Rot. Bonds4

About 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide

2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide (PubChem CID 79313258) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
PubChem CID79313258
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
SMILESCN(CC1CCCN1C)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H22N4O/c1-17-7-3-4-11(17)9-18(2)10-5-6-13(15)12(8-10)14(16)19/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H2,16,19)
InChIKeyUZZMWNQPTPTFGM-UHFFFAOYSA-N
XLogP0.90
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79312535
4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide
CID 79313788
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61440357
4-amino-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoic acid
CID 79312601
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
methyl 3-amino-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoate
CID 79312975
2-amino-5-[cyclopentyl(methyl)amino]benzamide
CID 61307306
5-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarbothioamide
CID 114891907
3-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]prop-2-enoic acid
CID 79319739
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
5-fluoro-3-N-methyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 79304677

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide?
The IUPAC name of 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide (CID 79313258) is 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide.
What is the SMILES notation for 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide?
The canonical SMILES for 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide is CN(CC1CCCN1C)c1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide?
The InChIKey is UZZMWNQPTPTFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-7-3-4-11(17)9-18(2)10-5-6-13(15)12(8-10)14(16)19/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H2,16,19).
What are the key properties of 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide?
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide has a molecular weight of 262.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide is sourced from PubChem (CID 79313258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).